SCHEMBL6990123

SCHEMBL6990123

CCCCc1c(-c2ccccc2C)c(Cl)nc2ncnn12

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
USP2 O75604 1/20 0.41
ALDH1A1 P00352 2/20 0.40
ATM Q13315 1/20 0.37
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
TP53 P04637 1/20 0.35
ENPP1 P22413 4/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34
TSHR P16473 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6993136 0.89 ALDH1A1 (0.43) MEN1KMT2AUSP2ALDH1A1ATM
SCHEMBL6991515 0.87 ALDH1A1 (0.38) MEN1KMT2AUSP2ALDH1A1ATM
SCHEMBL6997123 0.84 KDM4E (0.42) MEN1KMT2AUSP2ALDH1A1ATM
SCHEMBL4810488 0.80 ALDH1A1 (0.38) MEN1KMT2AALDH1A1ATMHTT
SCHEMBL4818522 0.78 ENPP1 (0.52) MEN1KMT2AUSP2ALDH1A1HTT
SCHEMBL6997181 0.77 ALDH1A1 (0.38) MEN1KMT2AALDH1A1ATMGAA
SCHEMBL974128 0.75 ATM (0.40) MEN1KMT2AALDH1A1ATMHTT
SCHEMBL5593321 0.75 GAA (0.45) MEN1KMT2AALDH1A1ATMHTT
SCHEMBL4814229 0.74 ALDH1A1 (0.38) MEN1KMT2AALDH1A1ATMHTT
SCHEMBL4817006 0.73 ALDH1A1 (0.37) MEN1KMT2AALDH1A1ATMHTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1054888-B1 FUNGICIDAL 7-ALKYL-TRIAZOLOPYRIMIDINES BASF AG (DE) 2003-11-26 EP claimed
EP-1056749-B1 NOVEL TRIAZOLO(4,5-d)PYRIMIDINE COMPOUNDS ASTRAZENECA UK LTD (GB) 2003-02-19 EP claimed
EP-1054888-A1 FUNGICIDAL 7-ALKYL-TRIAZOLOPYRIMIDINES AMERICAN CYANAMID COMPANY (US) 2000-11-29 EP claimed
US-6020338-A Fungicidal 7-alkyl-triazolopyrimidines AMERICAN CYANAMID COMPANY (US) 2000-02-01 US claimed
WO-1999041255-A1 FUNGICIDAL 7-ALKYL-TRIAZOLOPYRIMIDINES AMERICAN CYANAMID COMPANY (US) 1999-08-19 WO claimed
EP-1054888-B1 FUNGICIDAL 7-ALKYL-TRIAZOLOPYRIMIDINES BASF AG (DE) 2003-11-26 EP disclosed
EP-1359150-A2 A process and intermediates for the preparation of fungicidal 7-alkyl-triazolopyrimidines BASF AKTIENGESELLSCHAFT (DE) 2003-11-05 EP disclosed
US-6020338-A Fungicidal 7-alkyl-triazolopyrimidines AMERICAN CYANAMID COMPANY (US) 2000-02-01 US disclosed